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| IUPAC name : | ethyl (E)-hex-2-enoate |
| InChI : | InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+ |
| InChIKey : | SJRXWMQZUAOMRJ-VOTSOKGWBW |
| SMILES : | CCC\C=C\C(=O)OCC |
| (EINECS) number : | 248-681-5 |
| cas number : | 27829-72-7 |
| fema number : | 3675 |
| coe number : | 631 |
| jecfa number : | 1808 |
| fl. number : | 09.850 |
| molar refractivity : | 40.94 ± 0.3 cm3 |
| parachor : | 362.3 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.901 ± 0.06 g/cm3 |
| polarizability : | 16.23 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 142.1955600 |
| formula : | C8 H14 O2 |
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| IUPAC name : | ethyl hex-2-enoate |
| InChI : | InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3 |
| InChIKey : | SJRXWMQZUAOMRJ-UHFFFAOYAH |
| SMILES : | CCCC=CC(=O)OCC |
| (EINECS) number : | 216-296-1 |
| cas number : | 1552-67-6 |
| fema number : | 3675 |
| coe number : | 631 |
| fl. number : | 09.190 |
| molar refractivity : | 40.94 ± 0.3 cm3 |
| parachor : | 362.3 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.901 ± 0.06 g/cm3 |
| polarizability : | 16.23 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 142.1955600 |
| formula : | C8 H14 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet green fruity vegetable |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89600 - 0.90300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.456 to 7.514
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| refractive index : | 1.43100 - 1.43900 @ 20.00 °C.
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| boiling point : | 110.00 - 111.00 °C. @ 10.00 mm Hg
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| boiling point : | 182.00 - 183.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.91 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 131.00 °F. TCC ( 55.00 °C. )
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| recommendation for ethyl (E)-2-hexenoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for ethyl (E)-2-hexenoate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 248-681-5 |
| chemidplus : | 027829727 |
| epa-srs : | 27829-72-7 |
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| (EINECS) number : | 216-296-1 |
| chemidplus : | 001552676 |
| epa-srs : | 1552-67-6 |
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| other : | |
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| references : | |
| jecfa number : | 1808 |
| fl. number : | 09.850 |
| pubchem : | 204946 |
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| fl. number : | 09.190 |
| pubchem : | 203785 |
| NIST Chemistry WebBook : | 797308169 |
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